(Z)-1-[(2S)-2-ethylpiperidin-1-yl]-2-methyl-3-phenylprop-2-en-1-one

C17H23NO — CID 2162217

IUPAC(Z)-1-[(2S)-2-ethylpiperidin-1-yl]-2-methyl-3-phenylprop-2-en-1-one
SMILESCC[C@H]1CCCCN1C(=O)/C(C)=C\c1ccccc1
InChIInChI=1S/C17H23NO/c1-3-16-11-7-8-12-18(16)17(19)14(2)13-15-9-5-4-6-10-15/h4-6,9-10,13,16H,3,7-8,11-12H2,1-2H3/b14-13-/t16-/m0/s1
InChIKeyAHIZHALHZLRDQL-FIPLFPIMSA-N
MW257.38 g/mol
LogP3.88
Rot. Bonds3

About (Z)-1-[(2S)-2-ethylpiperidin-1-yl]-2-methyl-3-phenylprop-2-en-1-one

(Z)-1-[(2S)-2-ethylpiperidin-1-yl]-2-methyl-3-phenylprop-2-en-1-one (PubChem CID 2162217) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is (Z)-1-[(2S)-2-ethylpiperidin-1-yl]-2-methyl-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-[(2S)-2-ethylpiperidin-1-yl]-2-methyl-3-phenylprop-2-en-1-one
PubChem CID2162217
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name(Z)-1-[(2S)-2-ethylpiperidin-1-yl]-2-methyl-3-phenylprop-2-en-1-one
SMILESCC[C@H]1CCCCN1C(=O)/C(C)=C\c1ccccc1
InChIInChI=1S/C17H23NO/c1-3-16-11-7-8-12-18(16)17(19)14(2)13-15-9-5-4-6-10-15/h4-6,9-10,13,16H,3,7-8,11-12H2,1-2H3/b14-13-/t16-/m0/s1
InChIKeyAHIZHALHZLRDQL-FIPLFPIMSA-N
XLogP3.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-[(2R)-2-ethylpiperidin-1-yl]-2-methyl-3-phenylprop-2-en-1-one
CID 2162218
(Z)-1-(2-ethylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one
CID 6378625
1-(2-ethylpiperidin-1-yl)-2-methyl-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-en-1-one
CID 54055162
1-(2-ethylpiperidin-1-yl)-2-(4-phenylpiperazin-1-yl)ethane-1,2-dione
CID 108523573
(2-ethylpiperidin-1-yl)-(1-phenylcyclobutyl)methanone
CID 110487740
(2R)-2-ethyl-N-phenylpiperidine-1-carboxamide
CID 728630
N-(4-anilinophenyl)-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide
CID 108523479
1-(2-ethylazepan-1-yl)-2-(2-hydroxyphenyl)ethanone
CID 112695780
1-(2-ethylpiperidin-1-yl)-4-phenoxybutan-1-one
CID 2914939
(2-ethylpyrrolidin-1-yl)-phenylmethanone
CID 20577009
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
benzyl 4-(2-ethylpiperidin-1-yl)-4-oxobutanoate
CID 138554546

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[(2S)-2-ethylpiperidin-1-yl]-2-methyl-3-phenylprop-2-en-1-one?
The IUPAC name of (Z)-1-[(2S)-2-ethylpiperidin-1-yl]-2-methyl-3-phenylprop-2-en-1-one (CID 2162217) is (Z)-1-[(2S)-2-ethylpiperidin-1-yl]-2-methyl-3-phenylprop-2-en-1-one.
What is the SMILES notation for (Z)-1-[(2S)-2-ethylpiperidin-1-yl]-2-methyl-3-phenylprop-2-en-1-one?
The canonical SMILES for (Z)-1-[(2S)-2-ethylpiperidin-1-yl]-2-methyl-3-phenylprop-2-en-1-one is CC[C@H]1CCCCN1C(=O)/C(C)=C\c1ccccc1.
What is the InChIKey of (Z)-1-[(2S)-2-ethylpiperidin-1-yl]-2-methyl-3-phenylprop-2-en-1-one?
The InChIKey is AHIZHALHZLRDQL-FIPLFPIMSA-N. The full InChI is InChI=1S/C17H23NO/c1-3-16-11-7-8-12-18(16)17(19)14(2)13-15-9-5-4-6-10-15/h4-6,9-10,13,16H,3,7-8,11-12H2,1-2H3/b14-13-/t16-/m0/s1.
What are the key properties of (Z)-1-[(2S)-2-ethylpiperidin-1-yl]-2-methyl-3-phenylprop-2-en-1-one?
(Z)-1-[(2S)-2-ethylpiperidin-1-yl]-2-methyl-3-phenylprop-2-en-1-one has a molecular weight of 257.38 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[(2S)-2-ethylpiperidin-1-yl]-2-methyl-3-phenylprop-2-en-1-one is sourced from PubChem (CID 2162217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).